Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEFLLDTLNLEAIKKWHHILPLAGVTSNPTIAKKEGDIHFFQRIRDVREIIGREASLHVQVVAKDYQGILDDAAKIR-QETDDDIYIKVPVTPDGLAAIKTLKAEGYNITATAIYTSMQGLLAISAGADYLAPYFNRMENLDIDATQVIKELAQAIERTGSSSKILAASFKNASQVTKALSQGAQSITAGPDIFESVFAMPSIAKAVNDFADDWKASQHSEHI
1VPX Chain:A ((13-228))
MKIFLDTANLEEIKKGVEWGIVDGVTTNP------------QRVKEICDLV--KGPVSAEVVSLDYEGMVREARELAQI--SEYVVIKIPMTPDGIKAVKTLSAEGIKTNVTLVFSPAQAILAAKAGATYVSPFVGRMDDLSNDGMRMLGEIVEIYNNYGFETEIIAASIRHPMHVVEAALMGVDIVTMPFAVLEKLFKHPMTDLGIERFMEDWKKYLENL--
General information:
TITO was launched using:
RESULT:
Template:
1VPX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109711 for 1645 contacts (-66.7/contact) +
2D Compatibility (PS) -21954 + (NN) -5794 + (LL) 1228
1D Compatibility (HY) -17600 + (ID) 3250
Total energy: -157081.0 ( -95.49 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_1VPX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VPX-query.scw
PDB file :
Tito_Scwrl_1VPX.pdb
: